2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine

C103H123Cl15N34O16 — CID 161122404

About 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine

2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine (PubChem CID 161122404) has the molecular formula C103H123Cl15N34O16 and a molecular weight of 2625.13 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine.

Molecular Properties

• Compound Name: 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine
• PubChem CID: 161122404
• Molecular Formula: C103H123Cl15N34O16
• Molecular Weight: 2625.13 g/mol
• Exact Mass: 2616.52
• IUPAC Name: 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine
• SMILES: CC(C)(C)OC(=O)NCCCN.CC(C)(C)OC(=O)NCCCNc1ncc(N)c(NCc2c(Cl)cccc2Cl)n1.CC(C)(C)OC(=O)NCCCNc1ncc([N+](=O)[O-])c(NCc2c(Cl)cccc2Cl)n1.CC(C)(C)OC(=O)NCCCNc1ncc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1.NCCCNc1ncc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1.NCc1c(Cl)cccc1Cl.O=[N+]([O-])c1cnc(Cl)nc1Cl.O=[N+]([O-])c1cnc(Cl)nc1NCc1c(Cl)cccc1Cl
• InChI: InChI=1S/C20H24Cl2N6O3.C19H24Cl2N6O4.C19H26Cl2N6O2.C15H16Cl2N6O.C11H7Cl3N4O2.C8H18N2O2.C7H7Cl2N.C4HCl2N3O2/c1-20(2,3)31-19(30)24-9-5-8-23-17-25-10-15-16(27-17)28(18(29)26-15)11-12-13(21)6-4-7-14(12)22;1-19(2,3)31-18(28)23-9-5-8-22-17-25-11-15(27(29)30)16(26-17)24-10-12-13(20)6-4-7-14(12)21;1-19(2,3)29-18(28)24-9-5-8-23-17-26-11-15(22)16(27-17)25-10-12-13(20)6-4-7-14(12)21;16-10-3-1-4-11(17)9(10)8-23-13-12(21-15(23)24)7-20-14(22-13)19-6-2-5-18;12-7-2-1-3-8(13)6(7)4-15-10-9(18(19)20)5-16-11(14)17-10;1-8(2,3)12-7(11)10-6-4-5-9;8-6-2-1-3-7(9)5(6)4-10;5-3-2(9(10)11)1-7-4(6)8-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,24,30)(H,26,29)(H,23,25,27);4,6-7,11H,5,8-10H2,1-3H3,(H,23,28)(H2,22,24,25,26);4,6-7,11H,5,8-10,22H2,1-3H3,(H,24,28)(H2,23,25,26,27);1,3-4,7H,2,5-6,8,18H2,(H,21,24)(H,19,20,22);1-3,5H,4H2,(H,15,16,17);4-6,9H2,1-3H3,(H,10,11);1-3H,4,10H2;1H
• InChIKey: ULCUYEYKKBEDLK-UHFFFAOYSA-N
• XLogP: 23.93
• TPSA: 701.29 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 41
• Rotatable Bonds: 39
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2625.13
LogP ≤ 5	23.93
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine?

The IUPAC name of 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine (CID 161122404) is 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine.

What is the SMILES notation for 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine?

The canonical SMILES for 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine is CC(C)(C)OC(=O)NCCCN.CC(C)(C)OC(=O)NCCCNc1ncc(N)c(NCc2c(Cl)cccc2Cl)n1.CC(C)(C)OC(=O)NCCCNc1ncc([N+](=O)[O-])c(NCc2c(Cl)cccc2Cl)n1.CC(C)(C)OC(=O)NCCCNc1ncc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1.NCCCNc1ncc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1.NCc1c(Cl)cccc1Cl.O=[N+]([O-])c1cnc(Cl)nc1Cl.O=[N+]([O-])c1cnc(Cl)nc1NCc1c(Cl)cccc1Cl.

What is the InChIKey of 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine?

The InChIKey is ULCUYEYKKBEDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N6O3.C19H24Cl2N6O4.C19H26Cl2N6O2.C15H16Cl2N6O.C11H7Cl3N4O2.C8H18N2O2.C7H7Cl2N.C4HCl2N3O2/c1-20(2,3)31-19(30)24-9-5-8-23-17-25-10-15-16(27-17)28(18(29)26-15)11-12-13(21)6-4-7-14(12)22;1-19(2,3)31-18(28)23-9-5-8-22-17-25-11-15(27(29)30)16(26-17)24-10-12-13(20)6-4-7-14(12)21;1-19(2,3)29-18(28)24-9-5-8-23-17-26-11-15(22)16(27-17)25-10-12-13(20)6-4-7-14(12)21;16-10-3-1-4-11(17)9(10)8-23-13-12(21-15(23)24)7-20-14(22-13)19-6-2-5-18;12-7-2-1-3-8(13)6(7)4-15-10-9(18(19)20)5-16-11(14)17-10;1-8(2,3)12-7(11)10-6-4-5-9;8-6-2-1-3-7(9)5(6)4-10;5-3-2(9(10)11)1-7-4(6)8-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,24,30)(H,26,29)(H,23,25,27);4,6-7,11H,5,8-10H2,1-3H3,(H,23,28)(H2,22,24,25,26);4,6-7,11H,5,8-10,22H2,1-3H3,(H,24,28)(H2,23,25,26,27);1,3-4,7H,2,5-6,8,18H2,(H,21,24)(H,19,20,22);1-3,5H,4H2,(H,15,16,17);4-6,9H2,1-3H3,(H,10,11);1-3H,4,10H2;1H.

What are the key properties of 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine?

2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine has a molecular weight of 2625.13 g/mol, XLogP of 23.93, 39 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-7H-purin-8-one;tert-butyl N-[3-[[5-amino-4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,6-dichlorophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]propyl]carbamate;tert-butyl N-[3-[[9-[(2,6-dichlorophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]propyl]carbamate;2-chloro-N-[(2,6-dichlorophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 161122404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).